N-(1H-pyrazol-4-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide

C11H9N7O — CID 43429763

IUPACN-(1H-pyrazol-4-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1)c1ccc(-n2cncn2)nc1
InChIInChI=1S/C11H9N7O/c19-11(17-9-4-14-15-5-9)8-1-2-10(13-3-8)18-7-12-6-16-18/h1-7H,(H,14,15)(H,17,19)
InChIKeyLMMVYUKWTSGJAU-UHFFFAOYSA-N
MW255.24 g/mol
LogP0.64
Rot. Bonds3

About N-(1H-pyrazol-4-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide

N-(1H-pyrazol-4-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide (PubChem CID 43429763) has the molecular formula C11H9N7O and a molecular weight of 255.24 g/mol. Its IUPAC name is N-(1H-pyrazol-4-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1H-pyrazol-4-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
PubChem CID43429763
Molecular FormulaC11H9N7O
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC NameN-(1H-pyrazol-4-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1)c1ccc(-n2cncn2)nc1
InChIInChI=1S/C11H9N7O/c19-11(17-9-4-14-15-5-9)8-1-2-10(13-3-8)18-7-12-6-16-18/h1-7H,(H,14,15)(H,17,19)
InChIKeyLMMVYUKWTSGJAU-UHFFFAOYSA-N
XLogP0.64
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(1,2,4-triazol-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 103725935
N-cyano-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 79194159
N-(2-hydroxyethyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 43416525
6-bromo-N-(1H-pyrazol-4-yl)pyridine-3-carboxamide
CID 66462687
4-methylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
CID 25344012
6-(1,2,4-triazol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide
CID 60982812
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 112811666
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 107847089
5-N-(1H-pyrazol-4-yl)pyridine-2,5-dicarboxamide
CID 86858757
N-(1H-pyrrol-3-ylmethyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 106385679
N-[3-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 112843389
N-(4-chloro-3-pyridin-2-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 52946876

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-4-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(1H-pyrazol-4-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide (CID 43429763) is N-(1H-pyrazol-4-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(1H-pyrazol-4-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(1H-pyrazol-4-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide is O=C(Nc1cn[nH]c1)c1ccc(-n2cncn2)nc1.
What is the InChIKey of N-(1H-pyrazol-4-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The InChIKey is LMMVYUKWTSGJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N7O/c19-11(17-9-4-14-15-5-9)8-1-2-10(13-3-8)18-7-12-6-16-18/h1-7H,(H,14,15)(H,17,19).
What are the key properties of N-(1H-pyrazol-4-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
N-(1H-pyrazol-4-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide has a molecular weight of 255.24 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-4-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 43429763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).